beta-Chloroethyl acetate
TL;DR: beta-Chloroethyl acetate (CAS 542-58-5) is a chemical compound with molecular formula C4H7ClO2 and molecular weight 122.01346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl acetate
Also Known As: 2-Chloroethyl acetate, Acetic Acid 2-Chloroethyl Ester, 2-Chlorethylacetat, Acetoxyethyl chloride, Chloroethyl acetate
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7ClO2 |
| Molecular Weight | 122.01346 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 122.01346 Da |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
| SMILES | CC(=O)OCCCl |
| InChIKey | VIRWKAJWTKAIMA-UHFFFAOYSA-N |
Product Description
Applications: beta-Chloroethyl acetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
beta-Chloroethyl acetate is a heterocyclic building block identified by CAS number 542-58-5 and the molecular formula C4H7ClO2 and a molecular weight of 122.01 g/mol. Synonyms include 2-Chloroethyl acetate and Acetic Acid 2-Chloroethyl Ester.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of beta-Chloroethyl acetate
Property Insights of beta-Chloroethyl acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Chloroethyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, beta-Chloroethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Chloroethyl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of beta-Chloroethyl acetate?
The CAS number of beta-Chloroethyl acetate is 542-58-5.
What is the molecular formula of beta-Chloroethyl acetate?
The molecular formula of beta-Chloroethyl acetate is C4H7ClO2.
What is the molecular weight of beta-Chloroethyl acetate?
The molecular weight of beta-Chloroethyl acetate is 122.01346 g/mol.
What are the applications of beta-Chloroethyl acetate?
beta-Chloroethyl acetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy beta-Chloroethyl acetate?
You can request a quote for beta-Chloroethyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Chloroethyl acetate?
Yes, CoreyChem provides custom synthesis services for beta-Chloroethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.